1,1,2,2,3,3,3-heptafluoropropylsulfonylazanide

C3HF7NO2S- — CID 154269472

IUPAC1,1,2,2,3,3,3-heptafluoropropylsulfonylazanide
SMILES[NH-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C3HF7NO2S/c4-1(5,2(6,7)8)3(9,10)14(11,12)13/h(H-,11,12,13)/q-1
InChIKeySFDGFQIPCYJRDB-UHFFFAOYSA-N
MW248.10 g/mol
LogP2.16
Rot. Bonds2

About 1,1,2,2,3,3,3-heptafluoropropylsulfonylazanide

1,1,2,2,3,3,3-heptafluoropropylsulfonylazanide (PubChem CID 154269472) has the molecular formula C3HF7NO2S- and a molecular weight of 248.10 g/mol. Its IUPAC name is 1,1,2,2,3,3,3-heptafluoropropylsulfonylazanide.

Molecular Properties

Compound Name1,1,2,2,3,3,3-heptafluoropropylsulfonylazanide
PubChem CID154269472
Molecular FormulaC3HF7NO2S-
Molecular Weight248.10 g/mol
Exact Mass247.96
IUPAC Name1,1,2,2,3,3,3-heptafluoropropylsulfonylazanide
SMILES[NH-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C3HF7NO2S/c4-1(5,2(6,7)8)3(9,10)14(11,12)13/h(H-,11,12,13)/q-1
InChIKeySFDGFQIPCYJRDB-UHFFFAOYSA-N
XLogP2.16
TPSA57.94 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.10
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

potassium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylazanide
CID 141294936
lithium (1,1,2,2,3,3-hexafluoro-3-sulfamoylpropyl)sulfonylazanide
CID 87784183
1,1,2,2,3,3,3-heptafluoropropane-1-sulfonyl iodide
CID 87237688
silver 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate
CID 88642392
trifluoromethylsulfonylazanide
CID 18339154
azane;(1,1,2,2,3,3,4,4,4-nonafluorobutyl-oxo-oxoniumylidene-λ6-sulfanyl)azanide
CID 170852078
bis(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate);mercury(2+)
CID 22604813
bis(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate);iridium
CID 162115807
lithium 1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)propane-1-sulfonamide
CID 173199731
1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate;tetramethylazanium
CID 23287339
1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylphosphane
CID 152575055
lithium;hydride;1,1,2,2,2-pentafluoroethanesulfonic acid
CID 173036129

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,3-heptafluoropropylsulfonylazanide?
The IUPAC name of 1,1,2,2,3,3,3-heptafluoropropylsulfonylazanide (CID 154269472) is 1,1,2,2,3,3,3-heptafluoropropylsulfonylazanide.
What is the SMILES notation for 1,1,2,2,3,3,3-heptafluoropropylsulfonylazanide?
The canonical SMILES for 1,1,2,2,3,3,3-heptafluoropropylsulfonylazanide is [NH-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,3-heptafluoropropylsulfonylazanide?
The InChIKey is SFDGFQIPCYJRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF7NO2S/c4-1(5,2(6,7)8)3(9,10)14(11,12)13/h(H-,11,12,13)/q-1.
What are the key properties of 1,1,2,2,3,3,3-heptafluoropropylsulfonylazanide?
1,1,2,2,3,3,3-heptafluoropropylsulfonylazanide has a molecular weight of 248.10 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,3-heptafluoropropylsulfonylazanide is sourced from PubChem (CID 154269472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).